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Zinc in PDB 1ben: Insulin Complexed with 4-Hydroxybenzamide

Protein crystallography data

The structure of Insulin Complexed with 4-Hydroxybenzamide, PDB code: 1ben was solved by G.D.Smith, E.Ciszak, W.Pangborn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.40
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 80.720, 80.720, 37.630, 90.00, 90.00, 120.00
R / Rfree (%) 15.4 / n/a

Other elements in 1ben:

The structure of Insulin Complexed with 4-Hydroxybenzamide also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Insulin Complexed with 4-Hydroxybenzamide (pdb code 1ben). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Insulin Complexed with 4-Hydroxybenzamide, PDB code: 1ben:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1ben

Go back to Zinc Binding Sites List in 1ben
Zinc binding site 1 out of 2 in the Insulin Complexed with 4-Hydroxybenzamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Insulin Complexed with 4-Hydroxybenzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn31

b:17.1
occ:0.33
NE2 B:HIS10 2.1 15.1 1.0
O B:HOH32 2.3 34.2 1.0
CE1 B:HIS10 3.0 15.9 1.0
CD2 B:HIS10 3.1 15.6 1.0
HE1 B:HIS10 3.2 14.8 1.0
HD2 B:HIS10 3.4 15.9 1.0
O B:HOH48 3.7 52.4 0.3
ND1 B:HIS10 4.2 15.4 1.0
CG B:HIS10 4.2 14.3 1.0
O B:HOH41 4.4 37.8 1.0
O B:HOH58 4.7 69.2 1.0
O D:HOH103 4.8 22.9 0.3
HD1 B:HIS10 5.0 14.6 1.0

Zinc binding site 2 out of 2 in 1ben

Go back to Zinc Binding Sites List in 1ben
Zinc binding site 2 out of 2 in the Insulin Complexed with 4-Hydroxybenzamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Insulin Complexed with 4-Hydroxybenzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn31

b:12.2
occ:0.33
NE2 D:HIS10 2.0 12.6 1.0
CL D:CL32 2.1 17.1 0.3
CE1 D:HIS10 2.9 13.2 1.0
CD2 D:HIS10 3.1 10.7 1.0
HE1 D:HIS10 3.1 12.3 1.0
HD2 D:HIS10 3.3 12.5 1.0
HB3 D:LEU6 4.0 16.8 1.0
ND1 D:HIS10 4.1 14.6 1.0
CG D:HIS10 4.2 12.3 1.0
O D:HOH107 4.7 33.5 0.3
O D:LEU6 4.7 14.3 1.0
HD11 D:LEU6 4.7 19.5 1.0
HD1 D:HIS10 4.9 13.3 1.0
CB D:LEU6 4.9 16.4 1.0
HD21 D:LEU6 5.0 19.0 1.0

Reference:

G.D.Smith, E.Ciszak, W.Pangborn. A Novel Complex of A Phenolic Derivative with Insulin: Structural Features Related to the T-->R Transition. Protein Sci. V. 5 1502 1996.
ISSN: ISSN 0961-8368
PubMed: 8844841
Page generated: Wed Dec 16 02:45:43 2020

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